N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C16H15N3O2S — CID 18109857

IUPACN-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1ccco1
InChIInChI=1S/C16H15N3O2S/c1-11-14(16(20)19(2)10-12-6-5-9-21-12)22-15(18-11)13-7-3-4-8-17-13/h3-9H,10H2,1-2H3
InChIKeyDMONITKLSPYYDK-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.38
Rot. Bonds4

About N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 18109857) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID18109857
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1ccco1
InChIInChI=1S/C16H15N3O2S/c1-11-14(16(20)19(2)10-12-6-5-9-21-12)22-15(18-11)13-7-3-4-8-17-13/h3-9H,10H2,1-2H3
InChIKeyDMONITKLSPYYDK-UHFFFAOYSA-N
XLogP3.38
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 18109857) is N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DMONITKLSPYYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-14(16(20)19(2)10-12-6-5-9-21-12)22-15(18-11)13-7-3-4-8-17-13/h3-9H,10H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18109857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).